2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol

C22H42N2O — CID 6435915

IUPAC2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol
SMILESCCCCCCCCCCCCCCC/C=C/C1=NCCN1CCO
InChIInChI=1S/C22H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h16-17,25H,2-15,18-21H2,1H3/b17-16+
InChIKeyBNGLZYYFFZFNDJ-WUKNDPDISA-N
MW350.59 g/mol
LogP5.73
Rot. Bonds17

About 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol

2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol (PubChem CID 6435915) has the molecular formula C22H42N2O and a molecular weight of 350.59 g/mol. Its IUPAC name is 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol
PubChem CID6435915
Molecular FormulaC22H42N2O
Molecular Weight350.59 g/mol
Exact Mass350.33
IUPAC Name2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol
SMILESCCCCCCCCCCCCCCC/C=C/C1=NCCN1CCO
InChIInChI=1S/C22H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h16-17,25H,2-15,18-21H2,1H3/b17-16+
InChIKeyBNGLZYYFFZFNDJ-WUKNDPDISA-N
XLogP5.73
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol (CID 6435915) is 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol is CCCCCCCCCCCCCCC/C=C/C1=NCCN1CCO.
What is the InChIKey of 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The InChIKey is BNGLZYYFFZFNDJ-WUKNDPDISA-N. The full InChI is InChI=1S/C22H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h16-17,25H,2-15,18-21H2,1H3/b17-16+.
What are the key properties of 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol has a molecular weight of 350.59 g/mol, XLogP of 5.73, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol is sourced from PubChem (CID 6435915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).